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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Discovery of element 117: Super-heavy elements and the “island of stability”

Element 117 (tennessine) joined the periodic table in November 2016. Two tennessine isotopes were synthesized by bombarding 249 Bk from Oak Ridge National Laboratory with 48 Ca ions at the Joint Institute of Nuclear Research, Russia, and 11 new heaviest isotopes of odd-Z elements were observed in subsequent decay chains. These isotopes exhibit increasing lifetimes as the closed nuclear shell at neutron number N = 184 is approached, providing evidence for the “island of stability” for super-heavy elements. Here, this article summarizes recent super-heavy element research with a focus on element 117, the role of actinide targets, and opportunities to synthesize elements 119 and 120.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2022

237 Np Mössbauer Isomer Shifts: A Lesson About the Balance of Static and Dynamic Electron Correlation in Heavy Element Complexes

A large set of neptunium compounds with different oxidation states (III to VII) was assembled to study the Mössbauer isomer shift by wave function calculations and better understand covalency in f-elements complexes. The contact density approach was used to calculate the isomer shift using complete active space self-consistent field (CASSCF) multiconfiguration wave functions, as well as matrix product states [from Density Matrix Renormalization Group (DMRG) algorithms] for large active spaces. Dynamic correlation effects for the isomer shifts were treated via CASPT2 energy derivatives with respect to the nuclear radius. The CASSCF calculations appear to produce different orbital overlocalization errors for low and high Np oxidation states. For compounds with low Np oxidation numbers, the errors can be attributed to the overlocalization of the 5f orbitals. For the compounds with high Np oxidation numbers, the main errors arise from an overlocalization of ligand orbitals and concomitant to weak donation bonding. Attempts to mitigate the overlocalization errors with large active spaces using DMRG were only partially successful, showing that explicit treatment of dynamic correlation is necessary for accurate predictions of Mössbauer isomer shifts. The CASPT2 calculations perform very satisfactorily. For a subset of Np compounds, both static and dynamic correlation effects were substantial. Furthermore, a rational active space selection based on orbital entanglement diagrams proved beneficial for determining the optimal reference wave function.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Dirac's equation and its implications for density functional theory based calculations of materials containing heavy elements

Electronic structure calculations based on density functional theory (DFT) give quantitatively accurate predictions of properties of most materials containing light elements. For heavy materials, and in particular for f -electron systems, DFT based methods can fail both qualitatively and quantitatively for two distinct reasons: their failure to describe confinement effects arising from localized f -electron behavior and their incomplete or approximate treatment of relativity. In addition, different methods for incorporating relativistic effects, which give identical results in most light materials, can give different predictions in heavy elements. In order to develop a quantitative capability for calculating the properties of these materials, it is essential to separate the predictions of the underlying equations from the uncertainty introduced in approximations used in computation. Working toward that goal, here we have developed a code, called dirac-fp , which is based directly on solving the Dirac-Kohn-Sham equations and uses the full-potential linear muffin-tin orbital (FP-LMTO) approach to electronic structure. In order to assess the performance of dirac-fp , we perform calculations on three different face-centered cubic materials using different approximate treatments of relativity: the scalar relativistic (SR) approach commonly used in most solid-state DFT codes, the scalar relativistic plus spin-orbit coupling corrections (SR+SO) approach which includes spin-orbit coupling self-consistently using the SR states inside the muffin tins, and the Dirac-Kohn-Sham (Dirac) approach implemented in dirac-fp . Performing calculations on thorium, in which relativistic effects should be strong, aluminum, in which relativistic effects should be negligible, and gold, in which relativistic effects play an intermediate role, we find that the Dirac approach is able to provide theoretically consistent results in the electronic structure and ground-state properties across all three materials.

3-dimensional systems↗
NASA NTRS1974

Are stellar surface heavy-element abundances systematically enhanced

Stellar surface heavy-element abundances may be substantially higher than interior abundances if there is appreciable accretion of chemically fractionated matter after Hayashi-phase convection has terminated. The plausibility of appreciable accretion is discussed, and some possible observational consequences of enhanced surface heavy-element abundances are investigated. These consequences include a reduced solar neutrino flux, systematic variations in surface abundance along the main sequence and along the giant branch, and relatively low heavy-element abundances among planetary nebulas and white dwarfs and in the interstellar medium. There is marginal observational evidence in support of the hypothesis of enhanced stellar surface heavy-element abundances.

Joss, P. C.↗
DOE OSTI2022

The Status and Ambitions of the US Heavy Element Program

The aim of this whitepaper is to highlight the current capabilities and priorities of the US Heavy Element community and to provide the framework for a coordinated advancement of nuclear science from these studies. This is an organized effort to reflect on what has been achieved in the field given the recommendations and initiatives of the 2015 NSAC Long Range Plan, and on what can be realized in the next decade given current and possibly expanded investments. Current investments have positioned the US community to be among the world leaders in studies of the nuclear and chemical properties of the heaviest elements. These include studies of reaction mechanisms, moving us ever closer to the “island of stability”, in spectroscopy, allowing us to better understand nuclear structure at these extreme proton numbers, in chemical behavior, looking to determine how these elements should be placed on the Periodic Table, in performing the first measurements where isotopes are directly identified by their mass numbers, and in laying the foundation for a potential US-led new element discovery experiment. At present, the highest priority of the US Heavy Element community is to capitalize on the current investments by supporting the operations of US facilities at optimal values. These facilities include the Argonne Tandem Linac Accelerator System at Argonne National Laboratory and other Department of Energy facilities such as the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory, which has a dedicated superheavy element program, as well as university laboratories, including Texas A&M University. The High Flux Isotope Reactor at Oak Ridge National Laboratory is crucial to providing the radioactive isotopes required for heavy element science targets. This facility should be supported to provide the actinide materials that are essential for US-based science. Production of stable, rare isotopes for beam material, including 48 Ca, 50 Ti, 54 Cr and 58 Fe, at the Stable Isotope Production and Research Center is critical to continued research in heavy element science and should be a priority. The continued development of targets for heavy element science and retaining US-based expertise is critical for the heavy element community. This is an area that is currently under pressure. For example, the target laboratory at Argonne National Laboratory serves a broad community and is currently under threat due to loss of critical personnel. The skills needed to make targets for nuclear science and develop new targetry methods need to be supported long term at Argonne, Oak Ridge and Lawrence Livermore National Laboratories as well as maintaining the programs at Oregon State University and San José State University as vital pipelines for training students. Advances in theory are the foundation to understand how nuclei behave and to predict those behaviors in new circumstances. Progress in these studies will necessitate continued and new investment and access to high-performance computing. The future health of the heavy element field is dependent on the continuous support of talented early-career professionals at all levels. It is critical that opportunities continue to be created for the next generation to become established in heavy element research so that we can ensure the field is attracting and retaining the best minds for continued success. It is also clear that to ensure diversity of ideas, perspectives and techniques, we need to recruit diverse personnel that are trained at the best facilities. The heavy element community is in support of continued investment to programs with initiatives in diversity, equity, and inclusion. Looking to the next decade of research, support needs to maintain and grow US leadership in heavy element science. Specifically, new investments in state-of-the-art instrumentation will be essential to scientific development of the field and in expanding scientific knowledge. Advances in the next generation of electron cyclotron resonance ion sources, multi-reflection time-of-flight devices, laser spectroscopy, trapping methods and next generation alpha and gamma spectroscopy systems should be prioritized.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Properties, Theory, and Measurements for Understanding the Function of Heavy Elements (Project 20180474CR, Final Technical Report)

The FY18-20 Laboratory Directed Research and Development (LDRD) funded Properties, Theory, and Measurements for Understanding the Function of Heavy Elements Project aim has been to advance heavy element science in a comprehensive project connecting targeted research with Los Alamos mission imperatives. The mechanisms for project implementation were (1) support of a multi-year broad-based postdoctoral fellows project, (2) a summer student fellows research project and two seminar series, and (3) organization of structured workshops and integrated educational and career development opportunities. The project was successfully administered by the Glenn T. Seaborg Institute (GTSI) for Transactinium Science and has shown to be an exceptional investment in supporting the Los Alamos National Laboratory (LANL) mission areas requiring heavy element and actinide science by attracting and funding the future generation of scientists and engineers. This project exhibited its value across the laboratory in heavy element and actinide science areas include materials, material properties, signatures, modeling, predictions, fabrication, detection, disposal, global security implications, forensics, and the specialized science surrounding plutonium, uranium, and their surrogates as fuels for energy and nuclear weapons. In this report, the GTSI project staff documents the “high return on investment” implementation as measured against the successes of previous actinide research and science-based projects and as evidenced by the retention of 30% of G.T. Seaborg Postdoctoral Fellows as permanent employees. With additional funding through LDRD Reserve funding during this project period, the GTSI expanded its support for heavy element and actinide science research with a Visiting Research Seaborg Scholar and a Rapid Response Small Projects call. These innovations have served to advance GTSI pursuits as communicated in our FY21-23 LDRD Proposal Project#: 20210527CR Seaborg Institute: Center for Advancing Actinide Science and Technology at LANL

36 MATERIALS SCIENCE↗
NASA NTRS1992

The Galileo heavy element monitor

The Heavy Ion Counter on the Galileo spacecraft will monitor energetic heavy nuclei of the elements from C to Ni, with energies from about 6 to about 200 MeV/nucl. The instrument will provide measurements of trapped heavy ions in the Jovian magnetosphere, including those high-energy heavy ions with the potential for affecting the operation of the spacecraft electronic circuitry. The instrument, which is a modified version of the Voyager CRS instrument, is described.

Garrard, T. L.↗
DOE OSTI2016

THE PROPERTIES OF HEAVY ELEMENTS IN GIANT PLANET ENVELOPES

The core-accretion model for giant planet formation suggests a two-layer picture for the initial structure of Jovian planets, with heavy elements in a dense core and a thick H–He envelope. Late planetesimal accretion and core erosion could potentially enrich the H–He envelope in heavy elements, which is supported by the threefold solar metallicity that was measured in Jupiter’s atmosphere by the Galileo entry probe. In order to reproduce the observed gravitational moments of Jupiter and Saturn, models for their interiors include heavy elements, Z , in various proportions. However, their effect on the equation of state of the hydrogen–helium mixtures has not been investigated beyond the ideal mixing approximation. In this article, we report results from ab initio simulations of fully interacting H–He– Z mixtures in order to characterize their equation of state and to analyze possible consequences for the interior structure and evolution of giant planets. Considering C, N, O, Si, Fe, MgO, and SiO{sub 2}, we show that the behavior of heavy elements in H–He mixtures may still be represented by an ideal mixture if the effective volumes and internal energies are chosen appropriately. In the case of oxygen, we also compute the effect on the entropy. We find the resulting changes in the temperature–pressure profile to be small. A homogeneous distribution of 2% oxygen by mass changes the temperature in Jupiter’s interior by only 80 K.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Effects of heavy-element settling on solar neutrino fluxes and interior structure

We consider the effects of gravitational settling of both He and heavier elements on the predicted solar neutrino fluxes and interior sound speed and density profiles. We find that while the structural changes that result from the inclusion of both He and heavy-element settling are only slightly larger than the changes resulting from the inclusion of He settling alone, the additional increases in expected neutrino fluxes are of comparable size. Our preferred model with both He and heavy-element settling has neutrino count rates of 9.0 SNU for Cl-37 detectors and 137 SNU for Ga-71 detectors, as compared to 7.1 and 127 SNU for a comparable model without any diffusive separation, or 8.0 and 132 SNU for a model that includes He settling alone. We suggest that the correction factors by which the predicted neutrino fluxes of solar models calculated without including the effects of diffusion should be multiplied are 1.25 +/- 0.08 for Cl detectors, 1.07 +/- 0.02 for Ga detectors, and 1.28 +/- 0.09 for the B-8 flux (1 sigma errors). Comparison of internal sound speed and density profiles strongly suggests that the additional changes in calculated p-mode oscillation frequencies due to the inclusion of heavy-element settling will be small compared to the changes that result from He settling alone, especially for the higher degree modes. All models with diffusive separation give much better agreement with the observed depth of the convection zone than do nondiffusive models. The model that includes both He and heavy-element settling requires an initial He mass fraction Y = 0.280 and has a surface He abundance of Y = 0.251 at the solar age.

Proffitt, Charles R.↗
NASA NTRS1993

Heavy element abundances and massive star formation

The determination of the stellar initial mass function (IMF) remains a great challenge in astronomy. In the solar neighborhood, the IMF is reasonable well determined for stellar masses from about 0.1 to 60 solar mass. However, outside the solar neighborhood, the IMF is poorly known. Among those frequently discussed arguments favoring a different IMF outside the solar neighborhood are the estimated time to consume the remaining gas in spiral galaxies, and the high rate of forming massive stars in starburst galaxies. An interesting question then is whether there may be an independent way of testing possible variations in the IMF. Indeed, the heavy elements in the interstellar medium are mostly synthesized in massive stars, so increasing, or decreasing, the fraction of massive stars naturally leads to a variation in the heavy element yield, and thus, the metallicity. The observed abundance should severely constrain any deviations of the IMF from the locally determined IMF. We focus on element oxygen, which is the most abundant heavy element in the interstellar medium. Oxygen is ejected only by massive stars that can become Type 1 supernovae, and the oxygen abundance is, therefore, a sensitive function of the fraction of massive stars in the IMF. Adopting oxygen enables us to avoid uncertainties in Type 1 supernovae. We use the nucleosynthesis results to calculate the oxygen yield for given IMF. We then calculate the oxygen abundance in the interstellar medium assuming instantaneous recycling of oxygen.

Wang, Boqi↗
DOE OSTI2017

Ion-Scale Excitations in a Strongly Coupled Astrophysical Plasma with Nuclei of Heavy Elements

The linear and nonlinear propagation of ultrarelativistic and nonrelativistic analysis on modified ion-acoustic (MIA) waves in a strongly coupled unmagnetized collisionless relativistic space plasma system is carried out. Plasma system is assumed to contain strongly coupled nonrelativistic ion fluids, both nonrelativistic and ultrarelativistic degenerate electron and positron fluids, and positively charged static heavy elements. The restoring force is provided by the degenerate pressure of the electron and positron fluids, whereas the inertia is provided by the mass of ions. The positively charged static heavy elements participate only in maintaining the quasineutrality condition at equilibrium. The well-known reductive perturbation method is used to derive the Burgers and Korteweg–de Vries equations. Their shock and solitary wave solutions are numerically analyzed to understand the localized electrostatic disturbances. The basic characteristics of MIA shock and solitary waves are found to be significantly modified by the effects of degenerate pressures of electron, positron, and ion fluids, their number densities, and various charge state of heavy elements. The implications of our results to dense plasmas in compact astrophysical objects (e.g., nonrotating white dwarfs, neutron stars, etc.) are briefly discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Survival-mediated capture and fusion cross sections for heavy-element synthesis

The cross section for producing a heavy evaporation residue σ EVR in a fusion reaction can be written as a product of three nonseparable factors, i.e., the capture cross section, the fusion probability P CN , and the survival probability W sur . Each of these factors is dependent on the spin. However, one must remember that the W sur term is zero or very small for higher spin values, thus effectively limiting the capture and fusion terms. For a series of ~287 reactions leading to heavy evaporation residues with Z CN ≤ 110, here we point out the implications of this fact for capture cross sections for heavy element formation reactions. From a comparison of calculated and measured evaporation residue cross sections we deduce values of the fusion probability P CN for some of these reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1991

An inhomogeneous reference catalogue of identified intervening heavy element systems in spectra of QSOs

Identifications of heavy element line systems, observed in spectra of quasi-stellar objects between 1965 and 1989 inclusive, are collected and tabulated with references. Each system is assigned a quality grade based on the apparent reliability of the data. The highest quality systems are used to characterize the absorbers as a sample. A decrease in C IV line strength with redshift (z), and the corresponding decrease in line density per unit z with z are confirmed. The weakest C IV systems, at high z, are accompanied by relatively stronger Si IV lines, compared to the relative line strengths at low z. The space density of systems with strong lines of first ions is nearly independent of z below z = 3, though it drops at z greater than 3. Preliminary tests for quasar lensing by intervening systems and for clustering of absorbers on large scales are presented.

York, Donald G.↗
DOE OSTI2017

Origin of the heavy elements in binary neutron-star mergers from a gravitational-wave event

The cosmic origin of elements heavier than iron has long been uncertain. Theoretical modelling shows that the matter that is expelled in the violent merger of two neutron stars can assemble into heavy elements such as gold and platinum in a process known as rapid neutron capture (r-process) nucleosynthesis. The radioactive decay of isotopes of the heavy elements is predicted to power a distinctive thermal glow (a ‘kilonova’). The discovery of an electromagnetic counterpart to the gravitational-wave source GW170817 represents the first opportunity to detect and scrutinize a sample of freshly synthesized r-process elements. Here we report models that predict the electromagnetic emission of kilonovae in detail and enable the mass, velocity and composition of ejecta to be derived from observations. We compare the models to the optical and infrared radiation associated with the GW170817 event to argue that the observed source is a kilonova. We infer the presence of two distinct components of ejecta, one composed primarily of light (atomic mass number less than 140) and one of heavy (atomic mass number greater than 140) r-process elements. The ejected mass and a merger rate inferred from GW170817 imply that such mergers are a dominant mode of r-process production in the Universe.

Kasen, Daniel↗
NASA NTRS1993

The interstellar abundances of tin and four other heavy elements

Spectra recorded at 1150-1600 A with an instrumental resolution near 16 km/s were obtained with the Goddard High-Resolution Spectrograph on board the HST. The gaseous interstellar abundances of five heavy elements along the light paths to 23 Ori, 15 Mon, 1 Sco, Pi Sco, and Pi Aqr were determined from the observations. The 1400.450 A line of Sn II was detected and identified toward three stars; at Z = 50, tin is the first element from the fifth row of the periodic table to be identified in the interstellar medium. One spectral line of each of Cu II (Z = 29) and Ga II (Z = 31), three lines of Ge II (Z = 32), and two lines of Kr I (Z = 36) were also detected toward some or all of the five stars. The depletions of these five heavy elements generally decrease monotonically with increasing atomic number toward each of the six stars, and tin is generally undepleted within the observational errors. The depletions of 26 elements from the interstellar gas in an average dense interstellar cloud appear to correlate with the elemental 'nebular' condensation temperatures more closely than with the first ionization potentials.

Hobbs, L. M.↗